UCSF

ZINC44810634

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 12 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.19 1.71 -12.95 1 5 0 79 170.168 4
Hi High (pH 8-9.5) 0.00 -0.11 -41.29 0 5 -1 86 169.16 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )